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BDBM22917 1-(1-hydroxy-4-phenylbutan-2-yl)-1H-imidazole-4-carboxamide::CHEMBL13696::FR221647::imidazole-4-carboxamide derivative, 1

SMILES: NC(=O)c1cn(cn1)C(CO)CCc1ccccc1

InChI Key: InChIKey=ZUYUIKKHHBEVHL-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 22917   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine deaminase


(Homo sapiens (human))
BDBM22917
PNG
(1-(1-hydroxy-4-phenylbutan-2-yl)-1H-imidazole-4-ca...)
Show SMILES NC(=O)c1cn(cn1)C(CO)CCc1ccccc1
Show InChI InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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PDB
Article
PubMed
5.90E+3 -7.06n/an/an/an/an/a7.422



Fujisawa Pharmaceutical Co., Ltd.



Assay Description
The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...


J Am Chem Soc 126: 34-5 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Homo sapiens (human))
BDBM22917
PNG
(1-(1-hydroxy-4-phenylbutan-2-yl)-1H-imidazole-4-ca...)
Show SMILES NC(=O)c1cn(cn1)C(CO)CCc1ccccc1
Show InChI InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)
PDB
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PDB
PubMed
5.90E+3 -7.06n/an/an/an/an/a7.422



Fujisawa Pharmaceutical Co., Ltd.



Assay Description
The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Homo sapiens (human))
BDBM22917
PNG
(1-(1-hydroxy-4-phenylbutan-2-yl)-1H-imidazole-4-ca...)
Show SMILES NC(=O)c1cn(cn1)C(CO)CCc1ccccc1
Show InChI InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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UniChem

Patents


Similars

PDB
Article
PubMed
5.90E+6n/an/an/an/an/an/an/an/a



Addis Ababa University

Curated by ChEMBL


Assay Description
Inhibition of human ADA


Bioorg Med Chem 15: 3728-36 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)